Information card for entry 1519357

Structure parameters

• Formula: C22 H28 N4 O2
• Calculated formula: C22 H28 N4 O2
• SMILES: COC(=O)c1ccc(cc1)c1c(nc2ncccn12)NC(C)(C)CC(C)(C)C
• Title of publication: 3-(4-Methoxycarbonylphenyl)-2-(2,4,4-trimethyl-2-pentylamino)imidazo-(1,2-a) pyrimidine
• Authors of publication: Bradley, M.; Hursthouse, Michael B.; Russell, A.; Light, Mark E.; Mandair, G. S.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 130
• a: 12.6651 ± 0.0005 Å
• b: 13.6078 ± 0.0007 Å
• c: 12.3362 ± 0.0005 Å
• α: 90°
• β: 95.807 ± 0.003°
• γ: 90°
• Cell volume: 2115.16 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No